- InChI
- InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h2-3,6H,7-8H2,1H3/b3-2-,9-6-
- InChI Key
- NUPAKTQITFGCSA-CITLEARMSA-N
- Formula
- C10H10O2
- SMILES
- CC=CC#CC=C1CCC(=O)O1
- Molecular Weight1
- 162.19
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3681 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.787 | Crippen Calculated Property | |
| McVol | 131.140 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 554.28 | K | Relay (1.0) Calculated Property |
| Tc | 740.34 | K | Relay (1.0) Calculated Property |
| Tfus | 371.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.43; 367.60] | J/mol×K | [562.72; 813.11] |
|
| Cp,gas | 294.43 | J/mol×K | 562.72 | Joback Calculated Property |
| Cp,gas | 308.76 | J/mol×K | 604.45 | Joback Calculated Property |
| Cp,gas | 322.18 | J/mol×K | 646.18 | Joback Calculated Property |
| Cp,gas | 334.75 | J/mol×K | 687.92 | Joback Calculated Property |
| Cp,gas | 346.48 | J/mol×K | 729.65 | Joback Calculated Property |
| Cp,gas | 357.42 | J/mol×K | 771.38 | Joback Calculated Property |
| Cp,gas | 367.60 | J/mol×K | 813.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4(Z),8(Z)-Matricaria lactone.
Sources
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